⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL31483251 | 0.82 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL31483254 | 0.82 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL28077041 | 0.82 | — | — | |
| SCHEMBL12869023 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL104766 | 0.75 | COMT (0.32) | — | |
| SCHEMBL18596273 | 0.71 | TLR8 (0.32) | — | |
| SCHEMBL18973179 | 0.71 | — | — | |
| SCHEMBL6308345 | 0.69 | — | — | |
| SCHEMBL8445390 | 0.69 | — | — | |
| SCHEMBL16661429 | 0.68 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230303581-A1 | ORALLY BIOAVAILABLE, BRAIN-PENETRANT COMPOUND WITH SELECTIVITY FOR THE CANNABINOID TYPE 2 RECEPTOR WITH POTENTIAL USE TOWARDS VISCERAL PAIN MANAGEMENT AND NEURODEGENERATIVE DISORDERS | UNIV MISSISSIPPI (US) | 2023-09-28 | — | — | US | disclosed |